Receptor
PDB id Resolution Class Description Source Keywords
2PQW 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF L3MBTL1 IN COMPLEX WITH H4K20ME2 (RESID 25), TRIGONAL FORM HOMO SAPIENS L(3)MBT-LIKE PROTEIN STRUCTURAL GENOMICS STRUCTURAL GENOMICONSORTIUM SGC TRANSCRIPTION
Ref.: L3MBTL1 RECOGNITION OF MONO- AND DIMETHYLATED HISTO NAT.STRUCT.MOL.BIOL. V. 14 1229 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:523;
A:524;
A:525;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ARG HIS ARG MLY VAL LEU ARG ASP ASN B:17;
Valid;
none;
submit data
1138.34 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RHI 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-MBT DOMAIN FROM HUMAN L3MBTL1 IN COMPLEX WITH H1.5K27ME2 AT 1.66 ANGSTROM HOMO SAPIENS BETA BARREL PROTEIN-PEPTIDE COMPLEX DIMETHYL-LYSINE ALTERNATIVE SPLICING CHROMATIN REGULATOR DNA-BINDING METAL-BINDING NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER TRANSCRIPTION/NUCLEAR PROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR LOWER LYSINE METHYLATION STATE-SPECIFIC READOUT BY MBT REPEATS OF L3MBTL1 AND AN ENGINEERED PHD FINGER. MOL.CELL V. 28 677 2007
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG HIS ARG MLY VAL LEU ARG ASP ASN; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG HIS ARG MLY VAL LEU ARG ASP ASN 1 1
2 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.867257 0.984848
3 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.80315 0.902778
4 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.68 0.878788
5 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.631944 0.875
6 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.56391 0.820895
7 ALA LYS PHE ARG HIS ASP 0.55814 0.794118
8 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.533333 0.814286
9 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.532374 0.811594
10 ASP ALA GLU PHE ARG HIS ASP 0.530303 0.779412
11 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.516779 0.838235
12 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.503546 0.878788
13 ALA PRO ALA LEU ARG VAL VAL LYS 0.5 0.69697
14 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.49635 0.878788
15 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.493421 0.823529
16 SER HIS LYS ILE ASP ASN LEU ASP 0.493056 0.771429
17 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.489655 0.753623
18 ALA ARG LYS ILE ASP ASN LEU ASP 0.488889 0.776119
19 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.48366 0.794521
20 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.477419 0.816901
21 SER ARG ASP HIS SER ARG THR PRO MET 0.47205 0.853333
22 VAL VAL SER HIS PHE ASN ASP 0.471014 0.690141
23 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.469231 0.712121
24 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.465278 0.8
25 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.464789 0.73913
26 GLU LYS VAL HIS VAL GLN 0.458647 0.742424
27 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.457746 0.785714
28 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.45283 0.77027
29 GLY ALA ARG ALA HIS SER SER 0.451852 0.826087
30 PHE ASN GLU LEU SER HIS LEU 0.446154 0.710145
31 ALA ARG THR MLY GLN 0.445312 0.811594
32 ALA SER ASN GLU HIS MET GLU THR MET 0.444444 0.760563
33 HIS VAL ALA VAL GLU ASN ALA LEU 0.442857 0.727273
34 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.441558 0.8
35 THR SER ARG HIS LYS ALY LEU MET ALA 0.441558 0.873239
36 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.439716 0.768116
37 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.439189 0.753623
38 ALA LEU ASP LYS TRP ASP 0.437037 0.695652
39 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.432927 0.84507
40 SER ARG LYS ILE ASP ASN LEU ASP 0.430556 0.742857
41 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.426667 0.676471
42 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.426357 0.727273
43 ALA ARG THR MLY GLN THR ALA 0.425373 0.811594
44 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.425373 0.811594
45 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.422222 0.701493
46 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.417219 0.753623
47 LYS GLY GLY ALA ALY ARG HIS ARG 0.413333 0.850746
48 PCA PHE ARG HIS ASP SER 0.413333 0.742857
49 TYR HIS SEP VAL VAL ARG TYR ALA 0.4125 0.679012
50 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.411765 0.708333
51 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.411392 0.73913
52 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.411392 0.768116
53 GLU LEU ASN ARG LYS MET ILE TYR MET 0.409938 0.767123
54 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.409396 0.80597
55 ALA LEU LYS ILE ASP ASN LEU ASP 0.407407 0.656716
56 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.407186 0.816901
57 ALA ARG THR MLY GLN THR ALA ARG TYR 0.406667 0.833333
58 ALA ARG THR GLU LEU TYR ARG SER LEU 0.406667 0.712329
59 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.406015 0.797101
60 PTR LEU ARG VAL ALA 0.404255 0.644737
61 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.403846 0.671233
62 ALA ARG LYS LEU ASP 0.403226 0.727273
63 GLU LEU ASP HIS TRP ALA SER 0.402597 0.680556
64 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.401361 0.757143
65 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.401274 0.791667
66 ARG HIS LYS ALY LEU MET PHE LYS 0.4 0.826087
67 ALA ASP LYS ILE ASP ASN LEU ASP 0.4 0.656716
Similar Binding Sites (Proteins are less than 50% similar to leader)
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